Information card for entry 4062310

Structure parameters

• Formula: C18 H20 B Cl Fe O2
• Calculated formula: C18 H20 B Cl Fe O2
• SMILES: C(#[O])[Fe]1234(C#[O])([c]5([c]1(C)[c]2(C)[c]3([c]45C)C)C)B(c1ccccc1)Cl
• Title of publication: Influence of Ligand Steric Bulk in the Synthesis of Transition-Metal Borylene Complexes
• Authors of publication: Coombs, Deborah L.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 21
• Pages of publication: 4213 - 4217
• a: 7.6864 ± 0.0004 Å
• b: 16.4353 ± 0.0008 Å
• c: 13.9744 ± 0.0006 Å
• α: 90°
• β: 102.373 ± 0.003°
• γ: 90°
• Cell volume: 1724.36 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No